Base information
| Cat. No. | |
| CAS No. | 31250-08-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H6ClNO |
| Molecular Weight | 119.55 |
| Exact Mass | 119.014 |
| XLogP3 | 0.76538 |
| Mr | 26.972 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | ClCCOCC#N |
